SCHEMBL19918751

SCHEMBL19918751

CCCCC(C)(CC)C(=O)c1cnn(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ACHE P22303 6/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ VNN1 O95497 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ DHX9 Q08211 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19918748 0.94 L3MBTL1 (0.40) L3MBTL1ACHESMN1; SMN2GRNSORT1
SCHEMBL19918755 0.90 L3MBTL1 (0.37) L3MBTL1ACHESMN1; SMN2GRNSORT1
SCHEMBL19918836 0.85 L3MBTL1 (0.40) L3MBTL1ACHESMN1; SMN2GRNSORT1
SCHEMBL19918835 0.79 ACHE (0.42) L3MBTL1ACHESMN1; SMN2GRNSORT1
SCHEMBL12868415 0.74 MKNK1 (0.43) L3MBTL1ACHESMN1; SMN2GRNSORT1
SCHEMBL19918747 0.74 GAA (0.39) SMN1; SMN2ALDH1A1RAB9A
SCHEMBL25007564 0.72 HCAR2 (0.42) L3MBTL1LMNAESR1
SCHEMBL25376158 0.72 L3MBTL1 (0.34) L3MBTL1SMN1; SMN2GRNSORT1ALDH1A1
SCHEMBL25376743 0.72 SMN1; SMN2 (0.46) L3MBTL1SMN1; SMN2GRNSORT1ALDH1A1
SCHEMBL25376152 0.72 L3MBTL1 (0.34) L3MBTL1SMN1; SMN2GRNSORT1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11076594-B2 Pyrazolone compound or salt thereof, preparation method therefor, herbicide composition and use thereof QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2021-08-03 — — US disclosed
US-20180055054-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2018-03-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180055054-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF THEM6, NOTUM, CYP4F11 L3MBTL1 3416/4885ACHE 741/4885SMN1; SMN2 4539/4885
US-11076594-B2 Pyrazolone compound or salt thereof, preparation method therefor, herbicide composition and use thereof THEM6, NOTUM, CYP4F11 L3MBTL1 3416/4885ACHE 741/4885SMN1; SMN2 4539/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback